10-phenyl-3,21-dihydroporphyrin-2-ol

C26H18N4O — CID 142252964

IUPAC10-phenyl-3,21-dihydroporphyrin-2-ol
SMILESOC1=C2/C=C3/C=CC(=N3)/C=C3/C=CC(=N3)/C(c3ccccc3)=C3/C=CC(=N3)/C=C(/C1)N2
InChIInChI=1S/C26H18N4O/c31-25-15-21-13-19-9-11-23(29-19)26(16-4-2-1-3-5-16)22-10-8-18(28-22)12-17-6-7-20(27-17)14-24(25)30-21/h1-14,30-31H,15H2/b18-12-,20-14-,21-13-,26-23-
InChIKeyYPRMVMNGNVURDX-LTFAJHONSA-N
MW402.46 g/mol
LogP4.86
Rot. Bonds1

About 10-phenyl-3,21-dihydroporphyrin-2-ol

10-phenyl-3,21-dihydroporphyrin-2-ol (PubChem CID 142252964) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 10-phenyl-3,21-dihydroporphyrin-2-ol.

Molecular Properties

Compound Name10-phenyl-3,21-dihydroporphyrin-2-ol
PubChem CID142252964
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name10-phenyl-3,21-dihydroporphyrin-2-ol
SMILESOC1=C2/C=C3/C=CC(=N3)/C=C3/C=CC(=N3)/C(c3ccccc3)=C3/C=CC(=N3)/C=C(/C1)N2
InChIInChI=1S/C26H18N4O/c31-25-15-21-13-19-9-11-23(29-19)26(16-4-2-1-3-5-16)22-10-8-18(28-22)12-17-6-7-20(27-17)14-24(25)30-21/h1-14,30-31H,15H2/b18-12-,20-14-,21-13-,26-23-
InChIKeyYPRMVMNGNVURDX-LTFAJHONSA-N
XLogP4.86
TPSA69.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin-2-ol
CID 135450262
3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol
CID 135403238
10-(3,5-ditert-butylphenyl)-15-(4-iodophenyl)-3,3-dimethyl-21H-porphyrin-2-ol
CID 135403240
3,3,10-trimethyl-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol
CID 136001485
20-iodo-3,3,10-trimethyl-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol
CID 136001487
15-Phenyl-3,21-dihydroporphyrin-2-ol
CID 142252966
phenyl(21H-porphyrin-2-ylidene)methanol
CID 154173445
1-(3-amino-23H-porphyrin-2-ylidene)-3-phenylprop-2-en-1-ol
CID 161269012
(Z)-(3-phenyl-23H-porphyrin-2-ylidene)methanol
CID 162517547
copper;3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol
CID 170159324
3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-21H-porphyrin-2-ol;zinc
CID 170159980
sodium hydroxy-(3-phenyl-23H-porphyrin-2-ylidene)methanolate
CID 173206447

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3,21-dihydroporphyrin-2-ol?
The IUPAC name of 10-phenyl-3,21-dihydroporphyrin-2-ol (CID 142252964) is 10-phenyl-3,21-dihydroporphyrin-2-ol.
What is the SMILES notation for 10-phenyl-3,21-dihydroporphyrin-2-ol?
The canonical SMILES for 10-phenyl-3,21-dihydroporphyrin-2-ol is OC1=C2/C=C3/C=CC(=N3)/C=C3/C=CC(=N3)/C(c3ccccc3)=C3/C=CC(=N3)/C=C(/C1)N2.
What is the InChIKey of 10-phenyl-3,21-dihydroporphyrin-2-ol?
The InChIKey is YPRMVMNGNVURDX-LTFAJHONSA-N. The full InChI is InChI=1S/C26H18N4O/c31-25-15-21-13-19-9-11-23(29-19)26(16-4-2-1-3-5-16)22-10-8-18(28-22)12-17-6-7-20(27-17)14-24(25)30-21/h1-14,30-31H,15H2/b18-12-,20-14-,21-13-,26-23-.
What are the key properties of 10-phenyl-3,21-dihydroporphyrin-2-ol?
10-phenyl-3,21-dihydroporphyrin-2-ol has a molecular weight of 402.46 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3,21-dihydroporphyrin-2-ol is sourced from PubChem (CID 142252964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).